2-pentan-2-yl-1,2-benzothiazol-3-one

Systemtic Name: 2-pentan-2-yl-1,2-benzothiazol-3-one Openeye Name: 2-(1-methylbutyl)-1,2-benzothiazol-3-one CAS Name: 2-pentan-2-yl-1,2-benzothiazol-3-one IUPAC Name: 2-pentan-2-yl-1,2-benzothiazol-3-one Traditional Name: 2-(1-methylbutyl)-1,2-benzothiazol-3-one Formula: C12H15NOS MolecularWeight: 221.3186

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N1C(=O)C2=CC=CC=C2S1

Isomeric SMILES

CCCC(C)N1C(=O)C2=CC=CC=C2S1

InChI

InChI=1S/C12H15NOS/c1-3-6-9(2)13-12(14)10-7-4-5-8-11(10)15-13/h4-5,7-9H,3,6H2,1-2H3